Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C9H10NO3.C6H14N4O2.C6H9N3O2.C4H9NO3.C4H6NO4.C3H7NO2.C2H5NO2.CH2O3.Fe |
| Molecular Weight | 1222.96 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Fe+3].OC(O)=O.NCC(O)=O.C[C@H](N)C(O)=O.CC(O)[C@H](N)C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC1=CNC=N1)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O.N[C@@H](CC2=CC=C([O-])C=C2)C(O)=O.N[C@@H](CC3=CC=C([O-])C=C3)C(O)=O
InChI
InChIKey=HMWVZUKAEZYCKA-FCCBQBHNSA-K
InChI=1S/2C9H11NO3.C6H14N4O2.C6H9N3O2.C4H7NO4.C4H9NO3.C3H7NO2.C2H5NO2.CH2O3.Fe/c2*10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4(5(11)12)2-1-3-10-6(8)9;7-5(6(10)11)1-4-2-8-3-9-4;5-2(4(8)9)1-3(6)7;1-2(6)3(5)4(7)8;1-2(4)3(5)6;3-1-2(4)5;2-1(3)4;/h2*1-4,8,11H,5,10H2,(H,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11);2H,1,5H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5);(H2,2,3,4);/q;;;;;;;;;+3/p-3/t2*8-;4-;5-;2-;2-,3+;2-;;;/m0000010.../s1
| Molecular Formula | C4H9NO3 |
| Molecular Weight | 119.1192 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H7NO4 |
| Molecular Weight | 133.1027 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C3H7NO2 |
| Molecular Weight | 89.0932 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Fe |
| Molecular Weight | 55.845 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | CO3 |
| Molecular Weight | 60.0089 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.1546 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H14N4O2 |
| Molecular Weight | 174.201 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2H4NO2 |
| Molecular Weight | 74.0587 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:54:10 GMT 2023
by
admin
on
Sat Dec 16 14:54:10 GMT 2023
|
| Record UNII |
WUH0GPS7HS
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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145721916
Created by
admin on Sat Dec 16 14:54:10 GMT 2023 , Edited by admin on Sat Dec 16 14:54:10 GMT 2023
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PRIMARY | |||
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WUH0GPS7HS
Created by
admin on Sat Dec 16 14:54:10 GMT 2023 , Edited by admin on Sat Dec 16 14:54:10 GMT 2023
|
PRIMARY |